
 CHEMBL3361418

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3361418

>  <PubChem CID>
118724979

>  <Formula>
C26H32N6O

>  <Molecular Weight>
444.583000

>  <IUPAC Name>
N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1(CNC(=O)CN=C(N)N)NC2=CC=CC3=CC=CC=C32)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1(CNC(=O)CN=C(N)N)NC2=CC=CC3=CC=CC=C32)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H32N6O/c27-25(28)29-17-24(33)30-19-26(31-23-12-6-10-21-9-4-5-11-22(21)23)13-15-32(16-14-26)18-20-7-2-1-3-8-20/h1-12,31H,13-19H2,(H,30,33)(H4,27,28,29)

>  <InChI Key>
BFVQVYYFEVEAPP-UHFFFAOYSA-N

